SCHEMBL9012164

SCHEMBL9012164

CC(C)CNc1ccc([N+](=O)[O-])cc1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CYP19A1 P11511 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10441606 0.82 RIPK1 (0.48) RIPK1KMT2AMEN1NPC1HSP90AA1
SCHEMBL6528639 0.80 IDO1 (0.33)
SCHEMBL9011981 0.78 RIPK1 (0.45) RIPK1KMT2AMEN1NPC1HSP90AA1
SCHEMBL9011960 0.78 ITK (0.30)
SCHEMBL9222793 0.72 RIPK1 (0.48) RIPK1KMT2AMEN1RAB9AMAPT
SCHEMBL9011963 0.71 TAAR1 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL9013435 0.71 TAAR1 (0.34)
SCHEMBL27352285 0.71 TSHR (0.46) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL9011917 0.70
SCHEMBL9012474 0.69 ADRA1A (0.35) KMT2AMEN1MAPTALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 EP disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed